Vitas-M small molecule compound
cyclohexyl[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889188
SMILES O=C(N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-])C1CCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H28N4O5 MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O5/c32-27(19-8-2-1-3-9-19)29-26(21-11-5-13-23(17-21)31(35)36)24-14-6-10-20(25(24)28-29)15-18-7-4-12-22(16-18)30(33)34/h4-5,7,11-13,15-17,19,24,26H,1-3,6,8-10,14H2/b20-15+InChIKey
QMJKVBHARGQLNF-HMMYKYKNSA-NSynonyms
C1CCC(CC1)C(=O)N2C(C3CCCC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=N2)C5=CC(=CC=C5)(N+)(=O)(O)
CYCLOHEXYL((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
cyclohexyl((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
InChI=1SC27H28N4O5c3227(198213919)2926(211151323(1721)31(35)36)241461020(25(24)2829)1518741222(1618)30(33)34h45711131517192426H13681014H2b2015+
MFCD02699477
O=C(N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O))C1CCCCC1
ZINC000015905907
ZINC000015905910
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